4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene

C11H12BrFO — CID 114672615

IUPAC4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene
SMILESC=C(CC)COc1cc(Br)ccc1F
InChIInChI=1S/C11H12BrFO/c1-3-8(2)7-14-11-6-9(12)4-5-10(11)13/h4-6H,2-3,7H2,1H3
InChIKeyLVBYGEBEDDSKJF-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.93
Rot. Bonds4

About 4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene

4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene (PubChem CID 114672615) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is 4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene
PubChem CID114672615
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene
SMILESC=C(CC)COc1cc(Br)ccc1F
InChIInChI=1S/C11H12BrFO/c1-3-8(2)7-14-11-6-9(12)4-5-10(11)13/h4-6H,2-3,7H2,1H3
InChIKeyLVBYGEBEDDSKJF-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene
CID 66043796
[4-fluoro-3-(2-methylidenebutoxy)phenyl]boronic acid
CID 114674680
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
4-bromo-2-(ethoxymethoxy)-1-fluorobenzene
CID 114672897
[3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol
CID 107690695
2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 114674097
2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide
CID 115919130
2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene
CID 130721910
2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103067314
4-bromo-2-(3,3-dimethylbutoxy)-1-fluorobenzene
CID 114672544

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene?
The IUPAC name of 4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene (CID 114672615) is 4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene.
What is the SMILES notation for 4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene?
The canonical SMILES for 4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene is C=C(CC)COc1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene?
The InChIKey is LVBYGEBEDDSKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c1-3-8(2)7-14-11-6-9(12)4-5-10(11)13/h4-6H,2-3,7H2,1H3.
What are the key properties of 4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene?
4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene has a molecular weight of 259.12 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene is sourced from PubChem (CID 114672615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).